1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine

C10H12ClFN2 — CID 112703896

IUPAC1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine
SMILESNC1CCN(c2c(F)cccc2Cl)C1
InChIInChI=1S/C10H12ClFN2/c11-8-2-1-3-9(12)10(8)14-5-4-7(13)6-14/h1-3,7H,4-6,13H2
InChIKeyKQUZZPQFCWPQLM-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.02
Rot. Bonds1

About 1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine

1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine (PubChem CID 112703896) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine
PubChem CID112703896
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC Name1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine
SMILESNC1CCN(c2c(F)cccc2Cl)C1
InChIInChI=1S/C10H12ClFN2/c11-8-2-1-3-9(12)10(8)14-5-4-7(13)6-14/h1-3,7H,4-6,13H2
InChIKeyKQUZZPQFCWPQLM-UHFFFAOYSA-N
XLogP2.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)piperidin-4-amine
CID 28974632
(3S)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine
CID 174408765
(3R)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine
CID 174409290
2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile
CID 94340829
[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 107600716
(3R)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol
CID 86323227
(3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol
CID 86323226
1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine
CID 82038574
1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794407
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
1-(2,6-difluoro-3-methylphenyl)piperidin-3-amine
CID 82819912
(3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine
CID 71643980

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine (CID 112703896) is 1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine is NC1CCN(c2c(F)cccc2Cl)C1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine?
The InChIKey is KQUZZPQFCWPQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2/c11-8-2-1-3-9(12)10(8)14-5-4-7(13)6-14/h1-3,7H,4-6,13H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine?
1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine has a molecular weight of 214.67 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 112703896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).